[xcrysden] Regrading problem in updating the structure

[mohaddeseh abbasnejad]

Dear users,

It is about a few days I have faced a strange problem.
Actually, xcrysden is working for visualising all the input files of PWscf.
Unfortunately, after I updated one of the input files ( obtained from the
vc-relax calculations), it stops and give me such an error:
ERROR: an error occurred while trying to update a structure; Error reading
file /tmp/xc_3330/xc_struc.3330.
However, the PWscf is running well with the updated structure.
I used the following command:

mohaddeseh at mohaddeseh-Vostro1310:~/Desktop$ xcrysden --pwi in-Ti-OV

+-----------------------------------------------------------------+
|*****************************************************************|
|*                                                               *|
|*  XCrySDen -- (X-Window) CRYstalline Structures and DENsities  *|
|*               =         ===         =              ===        *|
|*---------------------------------------------------------------*|
|*                                                               *|
|*    Anton Kokalj (tone.kokalj at ijs.si)                          *|
|*    Jozef Stefan Institute, Ljubljana, Slovenia                *|
|*                                                               *|
|*    Copyright (c) 1996--2012 by Anton Kokalj                   *|
|*                                                               *|
|*****************************************************************|
+-----------------------------------------------------------------+

  Version: 1.5.53

  Please report bugs to: tone.kokalj at ijs.si


  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.

  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
        Code available from http://www.xcrysden.org/.

XCRYSDEN_TOPDIR=/opt/exp_softs/tools/xcrysden-1.5.53/share/xcrysden-1.5.53
XCRYSDEN_SCRATCH=/tmp

Running on platform : unix
   Operating system : Linux
Package ImageMagick's convert: /usr/bin/convert
Package ImageMagick's import: /usr/bin/import
Package Ppmtompeg: /usr/bin/ppmtompeg
Package Babel: /usr/bin/babel
Package Xwd: /usr/bin/xwd
Executing: /opt/exp_softs/tools/xcrysden-1.5.53/lib/xcrysden-1.5.53/ftnunit
TEXT-WIDGET: .a1.f1.t
Executing: sh
/opt/exp_softs/tools/xcrysden-1.5.53/share/xcrysden-1.5.53/scripts/pwi2xsf.sh
/home/mohaddeseh/Desktop/in-Ti-OV
reading PRIMCOORD
Number of Atoms:  0
Number of Frames: 0
Estimated number of bonds = 0
sInfo(dim) = 3; periodic(dim) = 3
Executing: /opt/exp_softs/tools/xcrysden-1.5.53/lib/xcrysden-1.5.53/gengeom
0 1 11 1 1 1 1 xc_gengeom.3330 /tmp/xc_3330/pwi2xsf.xsf_out.raw
Executing: /opt/exp_softs/tools/xcrysden-1.5.53/lib/xcrysden-1.5.53/gengeom
2 1 11 1 1 1 1 /tmp/xc_3330/xc_struc.3330 /tmp/xc_3330/pwi2xsf.xsf_out.raw
reading PRIMCOORD
reading CONVCOORD
"/tmp/xc_3330/xc_struc.3330"
Error in startup script: can't read "sInfo(ldatagrid2D)": no such variable
    while executing
"if { $sInfo(ldatagrid2D) || $sInfo(ldatagrid3D) } {
    $m.menu entryconfig "Data Grid" -state normal
    } else {
    $m.menu entryconfig "Data Grid" -stat..."
    (procedure "Get_sInfoArray" line 13)
    invoked from within
"Get_sInfoArray"
    (procedure "xsfOpen" line 92)
    invoked from within
"xsfOpen $program_output .mesa"
    (procedure "openExtStruct" line 183)
    invoked from within
"openExtStruct 3 crystal external  [list sh
$system(TOPDIR)/scripts/pwi2xsf.sh]  pwi2xsf.xsf_out  {PWSCF Input File}
ANGS  -file $filedir  -preset pwIn..."
    invoked from within
"if [file exists $filedir] {
            # pop-up Viewer
            ViewMol .
            openExtStruct 3 crystal external  [list sh
$system(TOPDIR)/scripts/pwi2xsf.sh]  pwi2xsf..."
    (procedure "parseComLinArg" line 89)
    invoked from within
"parseComLinArg [lrange $argv 2 end]"
    invoked from within
"if { [llength $argv] > 2 } {
    parseComLinArg [lrange $argv 2 end]
} else {
    ViewMol .
}"
    (file
"/opt/exp_softs/tools/xcrysden-1.5.53/share/xcrysden-1.5.53/Tcl/xcInit.tcl"
line 609)

Any help would be appreciated.
Thanks in advance.
Regards,
Mohaddeseh


-- 
---------------------------------------------------------

Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
Cellphone: +98 917 731 7514
E-Mail:     m.abbasnejad at gmail.com
Website:  http://physics.ut.ac.ir

---------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20160825/aee2f200/attachment.htm